SCHEMBL279718

SCHEMBL279718

CC(C)c1c[nH]c(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.43
CDK8 P49336 6/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 4/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAP2K1 Q02750 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
EIF4A3 P38919 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1969597 0.82 TDP1 (0.51) SMN1; SMN2RAB9APKMTDP1FABP3
SCHEMBL23952006 0.79 ALDH1A1 (0.54) CCNCCDK8ALDH1A1HTTKMT2A
SCHEMBL1969064 0.77 ALDH1A1 (0.55) ALDH1A1KMT2A
SCHEMBL25567051 0.77 CREBBP (0.58) CCNCCDK8ALDH1A1HTTKMT2A
SCHEMBL21180765 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9APKML3MBTL1
SCHEMBL279417 0.72
SCHEMBL18665439 0.72 CREBBP (0.37) CCNCCDK8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4884336 0.70
SCHEMBL3641818 0.70 HTT (0.59) CCNCCDK8ALDH1A1HTTKMT2A
SCHEMBL163392 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339555-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-10-29 US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 CCNC 1710/4885CDK8 1906/4885ALDH1A1 2807/4885
US-20200339555-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF MYD88, C3AR1, FCGRT CCNC 2639/4885CDK8 4668/4885ALDH1A1 1860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.